[(1S,2S)-2-methylcyclohexyl]-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1S,2S)-2-methylcyclohexyl]-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1S,2S)-2-methylcyclohexyl]-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: [(1S,2S)-2-methylcyclohexyl]-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: [(1S,2S)-2-methylcyclohexyl]-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-methyl-3-nitro-anilino)ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-11-5-3-4-6-14(11)17-10-16(20)18-13-8-7-12(2)15(9-13)19(21)22/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,18,20)/p+1/t11-,14-/m0/s1